(2-chloranyl-6-fluoranyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H20Cl2FNO4S MolecularWeight: 460.346503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C(C=CC=C3Cl)F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C(C=CC=C3Cl)F)Cl

InChI

InChI=1S/C20H20Cl2FNO4S/c21-16-6-5-7-18(23)15(16)13-28-20(25)14-8-9-17(22)19(12-14)29(26,27)24-10-3-1-2-4-11-24/h5-9,12H,1-4,10-11,13H2